3-propyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide | 28820-69-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 3-propyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
• 英文别名: 2,2-dioxo-3-propyl-1H-2lambda6,1,3-benzothiadiazin-4-one；2,2-dioxo-3-propyl-1H-2λ6,1,3-benzothiadiazin-4-one
• CAS: 28820-69-1
• 化学式: C₁₀H₁₂N₂O₃S
• 分子量: 240.283
• InChiKey: RNXRCBYXQZEUDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-二叔丁基-4-羟基苄醇 、 3-propyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以30%的产率得到
  参考文献：
  名称：

  2,1,3-Benzothiadiazine derivatives: synthesis and screening versus PDE4 enzyme

  摘要：

  A series of N-1,3 disubstituted 2,1,3-benzothiadiazine derivatives (BTDs) were synthesized and evaluated for their inhibitory activity versus enzymatic isoform PDE4 extracted from U937 cell line. Some of the tested compounds showed a high PDE4 inhibitory activity at 100 microM and the IC(50) value of the most interesting terms were evaluated. The structure-activity relationships of these compounds showed that the 3,5-di-tert-butyl-4-hydroxybenzyl moiety at N-1 position is important to obtain activity at micromolar level as previously reported. For the same compounds the antioxidant activity were evaluated highlighting 14 as the most significative one. The introduction of other bulky substituents in N-1 position is detrimental.

  DOI：

  10.1016/j.farmac.2005.05.009
• 作为产物：
  描述：

  Methyl 2-(propylsulfamoylamino)benzoate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 3-propyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
  参考文献：
  名称：

  2,1,3-Benzothiadiazine derivatives: synthesis and screening versus PDE4 enzyme

  摘要：

  A series of N-1,3 disubstituted 2,1,3-benzothiadiazine derivatives (BTDs) were synthesized and evaluated for their inhibitory activity versus enzymatic isoform PDE4 extracted from U937 cell line. Some of the tested compounds showed a high PDE4 inhibitory activity at 100 microM and the IC(50) value of the most interesting terms were evaluated. The structure-activity relationships of these compounds showed that the 3,5-di-tert-butyl-4-hydroxybenzyl moiety at N-1 position is important to obtain activity at micromolar level as previously reported. For the same compounds the antioxidant activity were evaluated highlighting 14 as the most significative one. The introduction of other bulky substituents in N-1 position is detrimental.

  DOI：

  10.1016/j.farmac.2005.05.009

文献信息

• Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one
  申请人：Feucht Dieter

  公开号：US20050003963A1

  公开（公告）日：2005-01-06

  The invention relates to synergistic herbicidal compositions comprising an effective amount of an active compound combination comprising (a) one or more compounds of the formula (I) in which Q 1 , Q 2 , R 1 , R 2 , R 3 and R 4 are as defined in the disclosure and salts of the compounds of the formula (I)- and b) at least one of the known herbicides listed in the description and, if appropriate, (c) a safener. The invention also relates to the use of these compositions for controlling unwanted vegetation and to a process for preparing the compositions according to the invention.
• HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE
  申请人：BAYER CROPSCIENCE AG

  公开号：US20130178363A1

  公开（公告）日：2013-07-11

  The invention relates to herbicidal compositions, their preparation, and their use for controlling unwanted vegetation. The compositions include an effective amount of an active compound combination that includes: (a) a substituted thien-3-yl-sulphonylaminocarbonyltriazolinone of formula (I-2) or salts thereof; and (b) at least one of the known herbicides listed in the disclosure and, (c) optionally a safener.
• US3935200A
  申请人：——

  公开号：US3935200A

  公开（公告）日：1976-01-27
• US3940389A
  申请人：——

  公开号：US3940389A

  公开（公告）日：1976-02-24
• US4155746A
  申请人：——

  公开号：US4155746A

  公开（公告）日：1979-05-22